6-(9-dibenzofuran-2-ylcarbazol-3-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine

C56H35N5OS — CID 155327299

IUPAC6-(9-dibenzofuran-2-ylcarbazol-3-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-c2ccc(C3=NC(c4cncc5sc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8oc9ccccc9c8c7)cc6c45)=NC(c4ccccc4)N3)cc2)cc1
InChIInChI=1S/C56H35N5OS/c1-3-11-34(12-4-1)35-19-21-37(22-20-35)55-58-54(36-13-5-2-6-14-36)59-56(60-55)46-32-57-33-52-53(46)45-30-39(24-28-51(45)63-52)38-23-26-48-43(29-38)41-15-7-9-17-47(41)61(48)40-25-27-50-44(31-40)42-16-8-10-18-49(42)62-50/h1-33,54H,(H,58,59,60)
InChIKeyZENILSLHNMWVBB-UHFFFAOYSA-N
MW826.00 g/mol
LogP14.28
Rot. Bonds6

About 6-(9-dibenzofuran-2-ylcarbazol-3-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine

6-(9-dibenzofuran-2-ylcarbazol-3-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine (PubChem CID 155327299) has the molecular formula C56H35N5OS and a molecular weight of 826.00 g/mol. Its IUPAC name is 6-(9-dibenzofuran-2-ylcarbazol-3-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name6-(9-dibenzofuran-2-ylcarbazol-3-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine
PubChem CID155327299
Molecular FormulaC56H35N5OS
Molecular Weight826.00 g/mol
Exact Mass825.26
IUPAC Name6-(9-dibenzofuran-2-ylcarbazol-3-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-c2ccc(C3=NC(c4cncc5sc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8oc9ccccc9c8c7)cc6c45)=NC(c4ccccc4)N3)cc2)cc1
InChIInChI=1S/C56H35N5OS/c1-3-11-34(12-4-1)35-19-21-37(22-20-35)55-58-54(36-13-5-2-6-14-36)59-56(60-55)46-32-57-33-52-53(46)45-30-39(24-28-51(45)63-52)38-23-26-48-43(29-38)41-15-7-9-17-47(41)61(48)40-25-27-50-44(31-40)42-16-8-10-18-49(42)62-50/h1-33,54H,(H,58,59,60)
InChIKeyZENILSLHNMWVBB-UHFFFAOYSA-N
XLogP14.28
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.00
LogP ≤ 514.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(9-dibenzofuran-2-ylcarbazol-3-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine with MolForge

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Related Compounds

6-[9-(3,5-ditert-butylphenyl)carbazol-3-yl]-4-[2-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine
CID 155327098
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole
CID 166962153
6-(9-phenanthren-9-ylcarbazol-3-yl)-4-[2-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine
CID 155327097
9-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]dibenzofuran-2-yl]carbazole
CID 166962098
6-(4-phenylnaphthalen-1-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine
CID 155327295
9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 166961445
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-3-yl]carbazole
CID 166962570
2-phenyl-9-[8-[2-phenyl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]carbazole
CID 166961321
9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyldibenzofuran-3-yl]-3-phenylcarbazole
CID 163680137
7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 137227552
9-[16-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole
CID 146664369
3-[9-[9-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137218561

Frequently Asked Questions

What is the IUPAC name of 6-(9-dibenzofuran-2-ylcarbazol-3-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 6-(9-dibenzofuran-2-ylcarbazol-3-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine (CID 155327299) is 6-(9-dibenzofuran-2-ylcarbazol-3-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 6-(9-dibenzofuran-2-ylcarbazol-3-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 6-(9-dibenzofuran-2-ylcarbazol-3-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine is c1ccc(-c2ccc(C3=NC(c4cncc5sc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8oc9ccccc9c8c7)cc6c45)=NC(c4ccccc4)N3)cc2)cc1.
What is the InChIKey of 6-(9-dibenzofuran-2-ylcarbazol-3-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is ZENILSLHNMWVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N5OS/c1-3-11-34(12-4-1)35-19-21-37(22-20-35)55-58-54(36-13-5-2-6-14-36)59-56(60-55)46-32-57-33-52-53(46)45-30-39(24-28-51(45)63-52)38-23-26-48-43(29-38)41-15-7-9-17-47(41)61(48)40-25-27-50-44(31-40)42-16-8-10-18-49(42)62-50/h1-33,54H,(H,58,59,60).
What are the key properties of 6-(9-dibenzofuran-2-ylcarbazol-3-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine?
6-(9-dibenzofuran-2-ylcarbazol-3-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 826.00 g/mol, XLogP of 14.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9-dibenzofuran-2-ylcarbazol-3-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 155327299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).